Enhanced electric polarizability in metal C60 compounds: Formation of a sodium droplet on C60

Dugourd, Philippe; Antoine, Rodolphe; Rayane, D.; Compagnon, Isabelle; Broyer, M.

doi:10.1063/1.1344885

Cited by 29 publications

(20 citation statements)

References 32 publications

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“…In these early works, they found for lithium certain "magic numbers" which can only arise from an homogeneous distribution of twelve Li atoms on the top of the pentagonal faces of fullerene. Some other elements were found to form clusters above a certain concentration, or to form other non-homogeneous distributions on the surface [18,19,20,21,22,23]. This behavior is detrimental for hydrogen adsorption, because the clustering of the metal atoms on the surface of C 60 reduces the active adsorption sites for H 2 [24].…”

Section: Introductionmentioning

confidence: 99%

Stable structures of exohedrally decorated C60-fullerenes

Flores‐Livas

Saha

et al. 2018

Carbon

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A good hydrogen storage material should adsorb hydrogen in high concentrations and with optimal binding energies. Exohedrally metal decorated carbon fullerene structures were proposed as a promising material in this context. We present a fully ab-initio, unbiased structure search of the configurational space of decorated C 60 fullerenes and find that many of the hitherto postulated ground state structures are not ground states. We determine the energetically lowest configurations for decorations with a varying number of decorating atoms (2 n 32) for alkali metals, alkaline-earth metals as well as some other important elements and find that the dense uniform distribution of the decorating atoms over the surface of the C 60 , desired for hydrogen storage, can be obtained only for a few elements. An understanding of the behavior of the decorating atoms can be obtained by analyzing their bonding characteristics via the electron localization function.

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Section: Introductionmentioning

confidence: 99%

Stable structures of exohedrally decorated C60-fullerenes

Flores‐Livas

Saha

et al. 2018

Carbon

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“…Here, the major forces stabilizing the complex were vdW interactions and C–H···π contacts between the −H of −CH 3 groups of the ligands and the π-system of C 60 . Moreover, it is well-known that metal clusters can also bind to fullerene surfaces . From Figure , it is clear that there were strong contacts between the Ag atoms of the cluster and C 60 , which contributed ion-induced dipole interactions to the overall stabilization of the complex.…”

Section: Resultsmentioning

confidence: 93%

Fullerene-Mediated Aggregation of M₂₅(SR)₁₈^– (M = Ag, Au) Nanoclusters

et al. 2020

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We report fullerene (C60 and C70)-induced aggregation of atomically precise clusters, taking M25(SR)18 – (M = Ag, Au and −SR is a thiolate ligand) clusters as an example. We show that dimers, trimers, tetramers, and even higher aggregates of the clusters can be created by supramolecular interaction with fullerenes. Adducts such as [{M25(SR)18} n (C60)] n− (n = 1–5), [{M25(SR)18} n (C60) n−1] n− (n = 2–5), and [{M25(SR)18} n (C60) n ] n− (n = 1, 2, 3, ..., etc.) were formed, which were studied by electrospray ionization mass spectrometry. Similar adducts with C70 were also observed. Structural insights were obtained from molecular docking and density functional theory calculations. Computational studies predicted the possibility of isomerism in some of these adducts. Fullerenes linked multiple clusters, causing aggregation. Fullerenes and clusters formed host–guest complexes in such assemblies. The possibilities of coassembly between the clusters and the fullerenes were also studied in the solid state. The nature of adducts observed in the case of M25(SR)18 – was completely different compared to the previously reported fullerene adducts of [Ag29(BDT)12]3– (where BDT is 1,3-benzene dithiol), in which multiple fullerenes were attached on the surface of a single cluster. Supramolecular aggregates formed in the case of M25(SR)18 – were independent of the nature of the metal atoms (Ag or Au). This implied that for an appropriate geometry of the cluster weak interactions with the ligands and ion-induced dipole interactions were more important in controlling the complexation compared to the metallophilic interactions. Exploring the interaction of atomically precise clusters with fullerenes is important, as the resulting adducts can show new properties such as isomerism, chirality, charge transfer, or enhanced optical properties.

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“…Although not discussed in that work, it seems likely that atomic cesium will be pulled into the droplet once a C 60 A n aggregate has formed because the electric polarizability of C 60 A n is an order of magnitude larger than that of C 60 . 47 , 48 If a Cs dimer but not a Cs atom would be pulled into a droplet containing a C 60 Cs n aggregate, an interesting odd–even effect would appear where C 60 -doped helium droplets containing n Cs atoms would consist of solvated (C 60 ) m Cs n if n is even but solvated (C 60 ) m Cs n –1 plus a Cs atom on the surface if n is odd.…”

Section: Discussionmentioning

confidence: 99%

“…Researchers at the University of Lyon have measured the electric susceptibility of neutral C 60 Na n in a molecular beam deflection experiment. ,, Strong deflection was attributed to complete segregation, i.e., formation of a single sodium droplet for all values of n . In later work though, supported by DFT studies, it was concluded that the first 8 sodium atoms spread uniformly over the C 60 surface. ,, In a subsequent DFT study Rabilloud concluded that up to 12 sodium atoms prefer to form distinct tetrahedral islands …”

Section: Discussionmentioning

confidence: 99%

Positively and Negatively Charged Cesium and (C₆₀)_mCs_n Cluster Ions

et al. 2017

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We report on the formation and ionization of cesium and C60Cs clusters in superfluid helium nanodroplets. Size distributions of positively and negatively charged (C60)mCsn± ions have been measured for m ≤ 7, n ≤ 12. Reproducible intensity anomalies are observed in high-resolution mass spectra. For both charge states, (C60)mCs3± and (C60)mCs5± are particularly abundant, with little dependence on the value of m. Distributions of bare cesium cluster ions also indicate enhanced stability of Cs3± and Cs5±, in agreement with theoretical predictions. These findings contrast with earlier reports on highly Cs-doped cationic fullerene aggregates which showed enhanced stability of C60Cs6 building blocks attributed to charge transfer. The dependence of the (C60)mCs3– anion yield on electron energy shows a resonance that, surprisingly, oscillates in strength as m increases from 1 to 6.

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Enhanced electric polarizability in metal C60 compounds: Formation of a sodium droplet on C60

Cited by 29 publications

References 32 publications

Stable structures of exohedrally decorated C60-fullerenes

Stable structures of exohedrally decorated C60-fullerenes

Fullerene-Mediated Aggregation of M₂₅(SR)₁₈^– (M = Ag, Au) Nanoclusters

Positively and Negatively Charged Cesium and (C₆₀)_mCs_n Cluster Ions

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Enhanced electric polarizability in metal C60 compounds: Formation of a sodium droplet on C60

Cited by 29 publications

References 32 publications

Stable structures of exohedrally decorated C60-fullerenes

Stable structures of exohedrally decorated C60-fullerenes

Fullerene-Mediated Aggregation of M25(SR)18– (M = Ag, Au) Nanoclusters

Positively and Negatively Charged Cesium and (C60)mCsn Cluster Ions

Contact Info

Product

Resources

About

Fullerene-Mediated Aggregation of M₂₅(SR)₁₈^– (M = Ag, Au) Nanoclusters

Positively and Negatively Charged Cesium and (C₆₀)_mCs_n Cluster Ions